Exchange-correlation energy from Green's functions
Chemical Physics
2024-03-13 v2 Quantum Physics
Abstract
DFT calculations yield useful ground-state energies and densities, while Green's function techniques (such as ) are mostly used to produce spectral functions. From the Galitskii-Migdal formula, we extract the exchange-correlation of DFT directly from a Green's function. This spectral representation provides an alternative to the fluctuation-dissipation theorem of DFT, identifying distinct single-particle and many-particle contributions. Results are illustrated on the uniform electron gas and the two-site Hubbard model.
Cite
@article{arxiv.2403.03364,
title = {Exchange-correlation energy from Green's functions},
author = {Steven Crisostomo and E. K. U. Gross and Kieron Burke},
journal= {arXiv preprint arXiv:2403.03364},
year = {2024}
}